Basic information
- CAS
40637-78-3- Standard SMILES
Cc1cccc([N+](=O)[O-])c1C(N)=O- InChIKey
DOQGEYYGGHYOJZ-UHFFFAOYSA-N- Molecular formula
- C8H8N2O3
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.05349212
Names & identifiers
- Preferred name
- 2-Methyl-6-nitrobenzamide
- IUPAC
- 2-methyl-6-nitrobenzamide
- English name
- 2-methyl-6-nitrobenzamide
- Molecular formula
- C8H8N2O3
- Molecular weight
- 180.16
Names & synonyms
2-methyl-6-nitrobenzamideRefChem:475814630-963-840637-78-3MFCD116460842-methyl-6-nitro-benzamidenitrotoluamidSCHEMBL1806105SCHEMBL1806108DTXSID80879377QBA63778AKOS009358450
Show more names
Benzamide, 2-methyl-6-nitro-
AS-94985SY181766CS-0252682EN300-61229G25934F666712Z394696612
Database identifiers
- CAS
40637-78-3- PubChem CID
- 11435293
- DTXSID
DTXSID80879377- EC Number
- 630-963-8
- Nikkaji
- J1.619.651G
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
LogP0.12
Physicochemical properties
- Melting point
- 158 · 158-159 °C
- Boiling point
- 294.3 · 294.3±28.0 °C(Predicted)
- Density
- 1.322 · 1.322±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 15.11 · 15.11±0.50(Predicted)
- Appearance
- Yellow to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H335-H312-H332-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H302-H335-H312-H332-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers9 total
河北朵放科技有限公司13127301785 · [email protected]
上海威芬奇医药科技有限公司13817485796 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
1 records
Compound notes
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